| SpectraBase Compound ID | HdDIjiBVD6b |
|---|---|
| InChI | InChI=1S/C9H17NO2S/c1-4-6-7-13-9(3,5-2)8-10(11)12/h4H,1,5-8H2,2-3H3 |
| InChIKey | TZRMDJNHSXLLBE-UHFFFAOYSA-N |
| Mol Weight | 203.3 g/mol |
| Molecular Formula | C9H17NO2S |
| Exact Mass | 203.098 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CkbCbduX79p |
|---|---|
| Name | 2-(3-Butenylthio)-2-methyl-1-nitrobutane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.097999963 u |
| Formula | C9H17NO2S |
| InChI | InChI=1S/C9H17NO2S/c1-4-6-7-13-9(3,5-2)8-10(11)12/h4H,1,5-8H2,2-3H3 |
| InChIKey | TZRMDJNHSXLLBE-UHFFFAOYSA-N |
| Molecular Weight | 203.300 g/mol |
| SMILES | C(N(=O)=O)C(SCCC=C)(CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936688 |